methyl N-(4-azanylcyclohexyl)-N-[[3-[4-(azepan-1-yl)-3-(phenylmethoxycarbonylamino)phenyl]phenyl]methyl]carbamate

Systemtic Name: methyl N-(4-azanylcyclohexyl)-N-[[3-[4-(azepan-1-yl)-3-(phenylmethoxycarbonylamino)phenyl]phenyl]methyl]carbamate Openeye Name: methyl N-(4-aminocyclohexyl)-N-[[3-[4-(azepan-1-yl)-3-(benzyloxycarbonylamino)phenyl]phenyl]methyl]carbamate CAS Name: N-(4-aminocyclohexyl)-N-[[3-[4-(1-azepanyl)-3-(phenylmethoxycarbonylamino)phenyl]phenyl]methyl]carbamic acid methyl ester IUPAC Name: methyl N-(4-aminocyclohexyl)-N-[[3-[4-(azepan-1-yl)-3-(phenylmethoxycarbonylamino)phenyl]phenyl]methyl]carbamate Traditional Name: N-(4-aminocyclohexyl)-N-[3-[4-(azepan-1-yl)-3-(benzyloxycarbonylamino)phenyl]benzyl]carbamic acid methyl ester Formula: C35H44N4O4 MolecularWeight: 584.74826

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N(CC1=CC=CC(=C1)C2=CC(=C(C=C2)N3CCCCCC3)NC(=O)OCC4=CC=CC=C4)C5CCC(CC5)N

Isomeric SMILES

COC(=O)N(CC1=CC=CC(=C1)C2=CC(=C(C=C2)N3CCCCCC3)NC(=O)OCC4=CC=CC=C4)C5CCC(CC5)N

InChI

InChI=1S/C35H44N4O4/c1-42-35(41)39(31-17-15-30(36)16-18-31)24-27-12-9-13-28(22-27)29-14-19-33(38-20-7-2-3-8-21-38)32(23-29)37-34(40)43-25-26-10-5-4-6-11-26/h4-6,9-14,19,22-23,30-31H,2-3,7-8,15-18,20-21,24-25,36H2,1H3,(H,37,40)